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5,6- bDihydro-2,4,6-triethyl-4H-1,3,5-dithiazine
ScientificNameLabel
5,6- bDihydro-2,4,6-triethyl-4H-1,3,5-dithiazine
PHCD compound ID :
5070
Chemical Names :
5,6- bDihydro-2,4,6-triethyl-4H-1,3,5-dithiazine
Molecular Formula :
C9H19N1S2
Molecular Weight :
205.095892
More Details :
Names & Synonyms:
2,4,6-triethyl-1,3,5-dithiazinane
Smiles:
CC[C@@H]1N[C@@H](CC)S[C@@H](S1)CC
InChi :
InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3/t7-,8-/m1/s1
InChi Key :
InChIKey=AANIECMHWBXFCP-HTQZYQBOSA-N
PubChem ID :
547350
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.627394
Hydrogen bond donor count :
1
Electric dipole moment :
2.176
XLogP :
2.773
VDW volume :
199.87867
Molecular weight :
205.095892
HOMO-LUMO gap :
8.469000
Herb list :
Onoin - Allium cepa - پیاز
Refrences & Litretures:
788. Journal:'Australian Journal of Basic and Applied Sciences' Year:'2009' Volume:'3' Page:'201' DOI:'' Title:'Essential Oil, Growth and Yield of Onion (Allium Cepa L.) In Response to Foliar Application of Some Micronutrients'
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